SCHEMBL8970987

SCHEMBL8970987

CCCCCCC1CCC(C(=O)Oc2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2)OC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.34
FAAH O00519 5/20 0.33
PTGS2 P35354 6/20 0.32
FFAR4 Q5NUL3 3/20 0.32
ESR1 P03372 1/20 0.32
PTPN11 Q06124 1/20 0.32
FFAR1 O14842 1/20 0.32
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
MCL1 Q07820 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8971126 0.91 FFAR4 (0.33) FFAR4
SCHEMBL8970995 0.91 FFAR4 (0.33) FFAR4
SCHEMBL8971281 0.89 FFAR4 (0.32) RARBFFAR4PTPN11
SCHEMBL8971017 0.85 PPARD (0.35) RARBFAAHPTGS2FFAR4PTPN11
SCHEMBL8970464 0.84 FFAR4 (0.33) RARBFFAR4ESR1PTPN11FFAR1
SCHEMBL12999685 0.81 THRA (0.30)
SCHEMBL8971199 0.81 RARB (0.40) RARBFFAR4PTPN11
SCHEMBL8971724 0.81 GRM2 (0.33) ESR1
SCHEMBL8939896 0.81 KDM1A (0.35) RARBESR1
SCHEMBL8971819 0.80 RARB (0.37) RARBFAAHPTPN11S1PR1S1PR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed